(3-chloro-2,4-dimethyl-6-propoxyphenyl)-pyrrolidin-2-ylmethanone

C16H22ClNO2 — CID 82553105

IUPAC(3-chloro-2,4-dimethyl-6-propoxyphenyl)-pyrrolidin-2-ylmethanone
SMILESCCCOc1cc(C)c(Cl)c(C)c1C(=O)C1CCCN1
InChIInChI=1S/C16H22ClNO2/c1-4-8-20-13-9-10(2)15(17)11(3)14(13)16(19)12-6-5-7-18-12/h9,12,18H,4-8H2,1-3H3
InChIKeyFESZUWZNWQOMOS-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.68
Rot. Bonds5

About (3-chloro-2,4-dimethyl-6-propoxyphenyl)-pyrrolidin-2-ylmethanone

(3-chloro-2,4-dimethyl-6-propoxyphenyl)-pyrrolidin-2-ylmethanone (PubChem CID 82553105) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is (3-chloro-2,4-dimethyl-6-propoxyphenyl)-pyrrolidin-2-ylmethanone.

Molecular Properties

Compound Name(3-chloro-2,4-dimethyl-6-propoxyphenyl)-pyrrolidin-2-ylmethanone
PubChem CID82553105
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name(3-chloro-2,4-dimethyl-6-propoxyphenyl)-pyrrolidin-2-ylmethanone
SMILESCCCOc1cc(C)c(Cl)c(C)c1C(=O)C1CCCN1
InChIInChI=1S/C16H22ClNO2/c1-4-8-20-13-9-10(2)15(17)11(3)14(13)16(19)12-6-5-7-18-12/h9,12,18H,4-8H2,1-3H3
InChIKeyFESZUWZNWQOMOS-UHFFFAOYSA-N
XLogP3.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-chloro-2,4-dimethyl-6-propoxyphenyl)-pyrrolidin-2-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-chloro-6-ethoxy-2,4-dimethylphenyl)-pyrrolidin-2-ylmethanone
CID 82553125
1-(3-chloro-2,4-dimethyl-6-propoxyphenyl)-2-piperidin-1-ylethanone
CID 82053366
(2-ethyl-4-propoxyphenyl)-pyrrolidin-2-ylmethanone
CID 82552016
(E)-3-(3-chloro-2,4-dimethyl-6-propoxyphenyl)but-2-enoic acid
CID 83958664
1-(3-chloro-2,4-dimethyl-6-propoxyphenyl)-2-propylsulfanylethanone
CID 82053373
(2S)-N-(3-chloro-4-propoxyphenyl)pyrrolidine-2-carboxamide
CID 61179228
(4-ethoxy-2,3-dimethylphenyl)-pyrrolidin-2-ylmethanone
CID 82552560
(E)-4-(3-chloro-2,4-dimethyl-6-propoxyphenyl)hept-3-enoic acid
CID 83958665
(4-methoxy-2,3-dimethylphenyl)-pyrrolidin-2-ylmethanone
CID 82290167
(4-methoxy-2,5-dimethylphenyl)-pyrrolidin-2-ylmethanone
CID 82049099
(3-hydroxy-2,4-dimethylphenyl)-[(2S)-pyrrolidin-2-yl]methanone
CID 175936464
3-chloro-2,4-dimethyl-6-propoxyaniline
CID 82053375

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2,4-dimethyl-6-propoxyphenyl)-pyrrolidin-2-ylmethanone?
The IUPAC name of (3-chloro-2,4-dimethyl-6-propoxyphenyl)-pyrrolidin-2-ylmethanone (CID 82553105) is (3-chloro-2,4-dimethyl-6-propoxyphenyl)-pyrrolidin-2-ylmethanone.
What is the SMILES notation for (3-chloro-2,4-dimethyl-6-propoxyphenyl)-pyrrolidin-2-ylmethanone?
The canonical SMILES for (3-chloro-2,4-dimethyl-6-propoxyphenyl)-pyrrolidin-2-ylmethanone is CCCOc1cc(C)c(Cl)c(C)c1C(=O)C1CCCN1.
What is the InChIKey of (3-chloro-2,4-dimethyl-6-propoxyphenyl)-pyrrolidin-2-ylmethanone?
The InChIKey is FESZUWZNWQOMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-4-8-20-13-9-10(2)15(17)11(3)14(13)16(19)12-6-5-7-18-12/h9,12,18H,4-8H2,1-3H3.
What are the key properties of (3-chloro-2,4-dimethyl-6-propoxyphenyl)-pyrrolidin-2-ylmethanone?
(3-chloro-2,4-dimethyl-6-propoxyphenyl)-pyrrolidin-2-ylmethanone has a molecular weight of 295.81 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2,4-dimethyl-6-propoxyphenyl)-pyrrolidin-2-ylmethanone is sourced from PubChem (CID 82553105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).